SCHEMBL7097522

SCHEMBL7097522

O=C1CCC2=C1C(c1cccc([N+](=O)[O-])c1)C1=C(CCNC1=O)N2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.57
ABCC8 Q09428 10/20 0.57
KCNJ11 Q14654 10/20 0.57
KCNJ8 Q15842 10/20 0.57
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GPR174 Q9BXC1 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CACNA1C Q13936 2/20 0.39
CACNA1F O60840 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
LMNA P02545 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6928301 0.91 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7814727 0.83 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7011365 0.80 ALDH1A1 (0.48) KMT2AMEN1MAPTCACNA1CCACNA1F
SCHEMBL7095360 0.80 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6908037 0.79 KMT2A (0.43) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7099788 0.78 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL6908767 0.78 MEN1 (0.44) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7835693 0.76 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7097781 0.75 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7094021 0.75 ABCC9 (0.80) ABCC9ABCC8KCNJ11KCNJ8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131322-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-09-12 EP claimed
WO-2000024741-A2 DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-05-04 WO claimed
EP-1278746-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP disclosed
WO-2001083480-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO disclosed
EP-1131322-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-09-12 EP disclosed
WO-2000024741-A2 DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed